ergo
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#include "grid_reader.h"
Go to the source code of this file.
Functions | |
EXTERN_C real | dft_get_xc_mt (int nElectrons, const real *dmat, const BasisInfoStruct *bis, const Molecule *mol, const Dft::GridParams &gss, real *ksm, real *edfty) |
EXTERN_C real | dft_get_uxc_mt (int nElectrons, const real *dmata, const real *dmatb, const BasisInfoStruct *bis, const Molecule *mol, const Dft::GridParams &gss, real *xca, real *xcb, real *edfty) |
contains the interface of xc_matrix.cc
EXTERN_C real dft_get_uxc_mt | ( | int | nElectrons, |
const real * | dmata, | ||
const real * | dmatb, | ||
const BasisInfoStruct * | bis, | ||
const Molecule * | mol, | ||
const Dft::GridParams & | gss, | ||
real * | xca, | ||
real * | xcb, | ||
real * | edfty | ||
) |
EXTERN_C real dft_get_xc_mt | ( | int | nElectrons, |
const real * | dmat, | ||
const BasisInfoStruct * | bis, | ||
const Molecule * | mol, | ||
const Dft::GridParams & | gss, | ||
real * | ksm, | ||
real * | edfty | ||
) |